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DocumentationIdentifier: MM283807
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM283807 |
| SMILES |
C#CC=C(F)CNC=NC
|
| InChIKey |
RJSMGTWPWWNYEX-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159035
Similarity: 0.8515
Similarity to MM159035
| Tanimoto metric | 0.8515 |
|---|---|
| Cosine metric | 0.9228 |
| Dice metric | 0.9198 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167947
Similarity: 0.7921
Similarity to MM167947
| Tanimoto metric | 0.7921 |
|---|---|
| Cosine metric | 0.89 |
| Dice metric | 0.884 |
| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360591
Similarity: 0.735
Similarity to MM360591
| Tanimoto metric | 0.735 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8473 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+110 more
